SCHEMBL5608726

SCHEMBL5608726

O=c1c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2[nH]n1CC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
HTR6 P50406 4/20 0.51
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1F P30939 1/20 0.51
HTR7 P34969 1/20 0.51
DRD3 P35462 1/20 0.51
PGR P06401 9/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
FBP1 P09467 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5608971 0.86 PKM (0.46) BRD4HTR6HTR2AHTR2CDRD3
SCHEMBL3913022 0.84 BRD4 (0.51) BRD4HTR6HTR1AHTR1DHTR1B
SCHEMBL5608331 0.82 GSPT1 (0.48) BRD4HTR6HTR1AHTR1DHTR1B
SCHEMBL1801399 0.81 TP53 (0.44) HTR6LMNAMAPTTP53THRB
SCHEMBL1819904 0.80 BRD4 (0.52) BRD4HTR6HTR1AHTR1DHTR1B
SCHEMBL5608793 0.78 PKM (0.41) BRD4HTR6HTR1AHTR1DHTR1B
SCHEMBL3915082 0.71 PTGDR2 (0.47) HTR6HTR2AHTR2CDRD3PKM
SCHEMBL1819641 0.69 PGR (0.57) BRD4PGRDDB1CRBNPKM
SCHEMBL1804773 0.69 MEN1 (0.46) BRD4HTR6HTR2AHTR2CDRD3
SCHEMBL5610031 0.69 BRD4 (0.54) BRD4HTR6PGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797042-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-20 EP disclosed
WO-2006034804-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-06 WO disclosed